Geometry & MOs

Info

ID:	159733
PubChem CID:	57288680
Reduced:	ClFIN2O2H13C18 (1)
Stoich.:	ABCD2E2F13G18 (1)
Weight, g/mol:	372.184921
ΔH_f, kcal/mol:	-68.54
Dipole, Da:	5.12
IP(EA), eV:	-9.32(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2S)-1-(benzylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CNC(=O)C2=CNC3=C(C2=O)C=C(C=C3F)CI)Cl

DOS

IR

Vibrations